SCHEMBL6497380

SCHEMBL6497380

O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.81
CCR8 P51685 3/20 0.79
DRD4 P21917 2/20 0.62
UBE2M P61081 1/20 0.60
DCUN1D1 Q96GG9 1/20 0.60
FAAH O00519 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6499380 0.89 CCR8 (1.00) SIGMAR1CCR8
SCHEMBL6500525 0.85 CCR8 (0.88) SIGMAR1CCR8
SCHEMBL6497533 0.83 CCR8 (0.81) SIGMAR1CCR8
SCHEMBL6504896 0.83 CCR8 (0.88) SIGMAR1CCR8
SCHEMBL6500103 0.83 CCR8 (1.00) SIGMAR1CCR8
SCHEMBL6509229 0.82 CCR8 (0.78) SIGMAR1CCR8
SCHEMBL6500308 0.82 SIGMAR1 (0.81) SIGMAR1CCR8
SCHEMBL6509291 0.82 CCR8 (0.82) SIGMAR1CCR8
SCHEMBL6498271 0.82 CCR8 (0.82) SIGMAR1CCR8
SCHEMBL6505596 0.80 CCR8 (0.79) SIGMAR1CCR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 SIGMAR1 525/4885CCR8 1/4885DRD4 3663/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.